Y501-3854 Screening compound: 5-[(E)-1-(1-ethyl-5-methyl-1H-pyrazol-4-yl)methylidene]-2-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl-1,3-thiazol-4(5H)-one

Y501-3854 Screening compound: 5-[(E)-1-(1-ethyl-5-methyl-1H-pyrazol-4-yl)methylidene]-2-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl-1,3-thiazol-4(5H)-one
Y501-3854 Screening compound: 5-[(E)-1-(1-ethyl-5-methyl-1H-pyrazol-4-yl)methylidene]-2-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl-1,3-thiazol-4(5H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-3854
5-[(E)-1-(1-ethyl-5-methyl-1H-pyrazol-4-yl)methylidene]-2-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl-1,3-thiazol-4(5H)-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

Y501-3854

Molecular Formula

C17H23N5OS (C17 H23 N5 OS)

Compound Name

5-[(E)-1-(1-ethyl-5-methyl-1H-pyrazol-4-yl)methylidene]-2-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl-1,3-thiazol-4(5H)-one

IUPAC name

(5E)-5-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methylidene]-2-{octahydropyrrolo[12-a]pyrazin-2-yl}-45-dihydro-13-thiazol-4-one

SMILES

CCn1ncc(/C=C2/SC(N3CC(CCC4)N4CC3)=NC2=O)c1C

InChI

InChI=1S/C17H23N5OS/c1-3-22-12(2)13(10-18-22)9-15-16(23)19-17(24-15)21-8-7-20-6-4-5-14(20)11-21/h9-10,14H,3-8,11H2,1-2H3/t14-/m0/s1

InChI Key

BALSVSAAXAKYOL-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.511

Distribution Coefficient, logD

0.974

Water Solubility, LogSw

-1.74

Polar Surface Area

43.154

Acid Dissociation Constant (pKa)

27.67

Base Dissociation Constant (pKb)

7.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.82

Y501-3854 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y501-3854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-3854?
Check Price and Availability of Y501-3854, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y501-3854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-3854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-3854
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of Y501-3854 available by request